Compile Data Set for Download or QSAR
Found 234 Enz. Inhib. hit(s) with Target = 'Coagulation factor XIII A chain'
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM50083725(CHEMBL3423195)
Show SMILES NC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C16H14N2O4/c17-15(19)13-14(22-13)16(20)18-10-5-4-8-12(9-10)21-11-6-2-1-3-7-11/h1-9,13-14H,(H2,17,19)(H,18,20)/t13-,14+/m0/s1
Affinity DataIC50: 4nMAssay Description:Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...More data for this Ligand-Target Pair
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM50083722(CHEMBL3423198)
Show SMILES NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Br)c(Cl)c1
Show InChI InChI=1S/C10H8BrClN2O3/c11-5-2-1-4(3-6(5)12)14-10(16)8-7(17-8)9(13)15/h1-3,7-8H,(H2,13,15)(H,14,16)/t7-,8+/m1/s1
Affinity DataIC50: 4nMAssay Description:Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...More data for this Ligand-Target Pair
TargetCoagulation factor XIII A chain(Rat)
Zedira GmbH

US Patent
LigandPNGBDBM577483(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H59N7O11/c1-42(2,3)34(48-37(54)29(17-11-12-18-31(51)60-4)45-36(53)27-19-20-44-22-28(27)41(58)59)40(57)49-23-26(50)21-30(49)38(55)47-33(25-15-9-6-10-16-25)39(56)46-32(35(43)52)24-13-7-5-8-14-24/h12,18-20,22,24-25,29-30,32-34H,5-11,13-17,21,23H2,1-4H3,(H2,43,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 8nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM50245478(CHEMBL4081588 | US11472838, Compound Ref. 25)
Show SMILES CCC(CC)CNC(=O)Cn1cccc(NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)c2cncn2C)c1=O
Show InChI InChI=1S/C26H36N6O6/c1-5-18(6-2)14-28-22(33)16-32-13-9-11-20(26(32)37)30-24(35)19(10-7-8-12-23(34)38-4)29-25(36)21-15-27-17-31(21)3/h8-9,11-13,15,17-19H,5-7,10,14,16H2,1-4H3,(H,28,33)(H,29,36)(H,30,35)/b12-8+/t19-/m0/s1
Affinity DataIC50: 10nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577540(US11472838, Compound Ref. 16)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)[C@@H]1CC(=O)CN1)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C36H58N6O10/c1-7-9-13-24(38-31(45)25(14-10-11-16-29(44)52-6)39-33(47)26-19-23(43)20-37-26)32(46)41-30(22(5)8-2)34(48)40-27(18-21(3)4)35(49)42-17-12-15-28(42)36(50)51/h11,16,21-22,24-28,30,37H,7-10,12-15,17-20H2,1-6H3,(H,38,45)(H,39,47)(H,40,48)(H,41,46)(H,50,51)/b16-11+/t22?,24-,25-,26-,27-,28-,30-/m0/s1
Affinity DataIC50: 10nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577546(US11472838, Compound Ref. 21)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)[C@H](CC(N)=O)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(O)=O
Show InChI InChI=1S/C43H68N10O17/c1-21(2)18-28(43(68)69)50-40(65)30-11-9-17-53(30)42(67)29(20-54)51-41(66)35(22(3)4)52-38(63)25(13-15-31(44)56)48-37(62)26(14-16-33(58)59)49-36(61)24(10-7-8-12-34(60)70-6)47-39(64)27(19-32(45)57)46-23(5)55/h8,12,21-22,24-30,35,54H,7,9-11,13-20H2,1-6H3,(H2,44,56)(H2,45,57)(H,46,55)(H,47,64)(H,48,62)(H,49,61)(H,50,65)(H,51,66)(H,52,63)(H,58,59)(H,68,69)/b12-8+/t24-,25-,26-,27-,28-,29-,30-,35-/m0/s1
Affinity DataIC50: 10nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577537(US11472838, Compound Ref. 14)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)[C@@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C37H60N6O12/c1-7-9-14-24(39-33(49)26(16-11-12-18-31(47)55-6)41-35(51)27(21-30(45)46)38-23(5)44)32(48)40-25(15-10-8-2)34(50)42-28(20-22(3)4)36(52)43-19-13-17-29(43)37(53)54/h12,18,22,24-29H,7-11,13-17,19-21H2,1-6H3,(H,38,44)(H,39,49)(H,40,48)(H,41,51)(H,42,50)(H,45,46)(H,53,54)/b18-12+/t24-,25-,26-,27+,28-,29-/m0/s1
Affinity DataIC50: 10nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577509(US11472838, Compound 27 | US11472838, Compound 31a...)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cncc(c1)C(O)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H61N7O10/c1-42(2,3)34(48-37(53)29(18-11-12-20-31(50)59-4)45-36(52)27-22-28(41(57)58)24-44-23-27)40(56)49-21-13-19-30(49)38(54)47-33(26-16-9-6-10-17-26)39(55)46-32(35(43)51)25-14-7-5-8-15-25/h12,20,22-26,29-30,32-34H,5-11,13-19,21H2,1-4H3,(H2,43,51)(H,45,52)(H,46,55)(H,47,54)(H,48,53)(H,57,58)/b20-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 10nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577484(US11472838, Compound 1a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C43H59N7O13/c1-43(2,3)35(48-38(55)30(17-11-12-18-32(52)63-4)45-37(54)29-21-26(50(61)62)19-20-28(29)42(59)60)41(58)49-23-27(51)22-31(49)39(56)47-34(25-15-9-6-10-16-25)40(57)46-33(36(44)53)24-13-7-5-8-14-24/h12,18-21,24-25,30-31,33-35H,5-11,13-17,22-23H2,1-4H3,(H2,44,53)(H,45,54)(H,46,57)(H,47,56)(H,48,55)(H,59,60)/b18-12+/t30-,31-,33-,34-,35+/m0/s1
Affinity DataIC50: 11nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577511(US11472838, Compound 29 | US11472838, Compound 32a...)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(Cl)c(Cl)cc1C(O)=O)C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C46H64Cl2N6O10/c1-45(2,3)37(53-40(58)31(19-13-14-20-32(55)64-6)50-39(57)26-21-29(47)30(48)22-27(26)44(62)63)43(61)54-23-28-33(46(28,4)5)36(54)42(60)52-35(25-17-11-8-12-18-25)41(59)51-34(38(49)56)24-15-9-7-10-16-24/h14,20-22,24-25,28,31,33-37H,7-13,15-19,23H2,1-6H3,(H2,49,56)(H,50,57)(H,51,59)(H,52,60)(H,53,58)(H,62,63)/b20-14+/t28-,31-,33-,34-,35-,36-,37+/m0/s1
Affinity DataIC50: 12nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577487(US11472838, Compound 4)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(cc(c1)[N+]([O-])=O)C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C43H59N7O13/c1-43(2,3)35(48-38(55)30(17-11-12-18-32(52)63-4)45-37(54)26-19-27(42(59)60)21-28(20-26)50(61)62)41(58)49-23-29(51)22-31(49)39(56)47-34(25-15-9-6-10-16-25)40(57)46-33(36(44)53)24-13-7-5-8-14-24/h12,18-21,24-25,30-31,33-35H,5-11,13-17,22-23H2,1-4H3,(H2,44,53)(H,45,54)(H,46,57)(H,47,56)(H,48,55)(H,59,60)/b18-12+/t30-,31-,33-,34-,35+/m0/s1
Affinity DataIC50: 13nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Crab-eating macaque)
Zedira GmbH

US Patent
LigandPNGBDBM577483(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H59N7O11/c1-42(2,3)34(48-37(54)29(17-11-12-18-31(51)60-4)45-36(53)27-19-20-44-22-28(27)41(58)59)40(57)49-23-26(50)21-30(49)38(55)47-33(25-15-9-6-10-16-25)39(56)46-32(35(43)52)24-13-7-5-8-14-24/h12,18-20,22,24-25,29-30,32-34H,5-11,13-17,21,23H2,1-4H3,(H2,43,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 15nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577512(US11472838, Compound 30)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccc(cc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1COC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H59N7O13/c1-42(2,3)34(47-37(53)29(17-11-12-18-31(50)61-4)44-36(52)27-20-19-26(49(59)60)21-28(27)41(57)58)40(56)48-23-62-22-30(48)38(54)46-33(25-15-9-6-10-16-25)39(55)45-32(35(43)51)24-13-7-5-8-14-24/h12,18-21,24-25,29-30,32-34H,5-11,13-17,22-23H2,1-4H3,(H2,43,51)(H,44,52)(H,45,55)(H,46,54)(H,47,53)(H,57,58)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 15nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Mouse)
Zedira GmbH

US Patent
LigandPNGBDBM577483(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H59N7O11/c1-42(2,3)34(48-37(54)29(17-11-12-18-31(51)60-4)45-36(53)27-19-20-44-22-28(27)41(58)59)40(57)49-23-26(50)21-30(49)38(55)47-33(25-15-9-6-10-16-25)39(56)46-32(35(43)52)24-13-7-5-8-14-24/h12,18-20,22,24-25,29-30,32-34H,5-11,13-17,21,23H2,1-4H3,(H2,43,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 15nMAssay Description:The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously express...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Pig)
Zedira GmbH

US Patent
LigandPNGBDBM577483(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H59N7O11/c1-42(2,3)34(48-37(54)29(17-11-12-18-31(51)60-4)45-36(53)27-19-20-44-22-28(27)41(58)59)40(57)49-23-26(50)21-30(49)38(55)47-33(25-15-9-6-10-16-25)39(56)46-32(35(43)52)24-13-7-5-8-14-24/h12,18-20,22,24-25,29-30,32-34H,5-11,13-17,21,23H2,1-4H3,(H2,43,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 16nMAssay Description:The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously express...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577483(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H59N7O11/c1-42(2,3)34(48-37(54)29(17-11-12-18-31(51)60-4)45-36(53)27-19-20-44-22-28(27)41(58)59)40(57)49-23-26(50)21-30(49)38(55)47-33(25-15-9-6-10-16-25)39(56)46-32(35(43)52)24-13-7-5-8-14-24/h12,18-20,22,24-25,29-30,32-34H,5-11,13-17,21,23H2,1-4H3,(H2,43,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 16nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577485(US11472838, Compound 2a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@@H](CC1CC1)C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O
Show InChI InChI=1S/C43H57N7O13/c1-63-34(52)15-9-8-14-31(45-38(54)30-21-27(50(61)62)18-19-29(30)43(59)60)39(55)46-32(20-24-16-17-24)42(58)49-23-28(51)22-33(49)40(56)48-36(26-12-6-3-7-13-26)41(57)47-35(37(44)53)25-10-4-2-5-11-25/h9,15,18-19,21,24-26,31-33,35-36H,2-8,10-14,16-17,20,22-23H2,1H3,(H2,44,53)(H,45,54)(H,46,55)(H,47,57)(H,48,56)(H,59,60)/b15-9+/t31-,32-,33-,35-,36-/m0/s1
Affinity DataIC50: 16nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577483(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H59N7O11/c1-42(2,3)34(48-37(54)29(17-11-12-18-31(51)60-4)45-36(53)27-19-20-44-22-28(27)41(58)59)40(57)49-23-26(50)21-30(49)38(55)47-33(25-15-9-6-10-16-25)39(56)46-32(35(43)52)24-13-7-5-8-14-24/h12,18-20,22,24-25,29-30,32-34H,5-11,13-17,21,23H2,1-4H3,(H2,43,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 16nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577488(US11472838, Compound 6)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cnc(O)c(c1)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C41H58N8O12/c1-41(2,3)33(47-36(54)27(17-11-12-18-30(51)61-4)44-35(53)25-19-29(49(59)60)37(55)43-21-25)40(58)48-22-26(50)20-28(48)38(56)46-32(24-15-9-6-10-16-24)39(57)45-31(34(42)52)23-13-7-5-8-14-23/h12,18-19,21,23-24,27-28,31-33H,5-11,13-17,20,22H2,1-4H3,(H2,42,52)(H,43,55)(H,44,53)(H,45,57)(H,46,56)(H,47,54)/b18-12+/t27-,28-,31-,32-,33+/m0/s1
Affinity DataIC50: 17nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Rat)
Zedira GmbH

US Patent
LigandPNGBDBM577483(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H59N7O11/c1-42(2,3)34(48-37(54)29(17-11-12-18-31(51)60-4)45-36(53)27-19-20-44-22-28(27)41(58)59)40(57)49-23-26(50)21-30(49)38(55)47-33(25-15-9-6-10-16-25)39(56)46-32(35(43)52)24-13-7-5-8-14-24/h12,18-20,22,24-25,29-30,32-34H,5-11,13-17,21,23H2,1-4H3,(H2,43,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 17nMAssay Description:The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously express...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577506(US11472838, Compound 24a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(=C)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C44H61N7O12/c1-25-22-32(40(56)48-35(27-16-10-7-11-17-27)41(57)47-34(37(45)53)26-14-8-6-9-15-26)50(24-25)42(58)36(44(2,3)4)49-39(55)31(18-12-13-19-33(52)63-5)46-38(54)30-23-28(51(61)62)20-21-29(30)43(59)60/h13,19-21,23,26-27,31-32,34-36H,1,6-12,14-18,22,24H2,2-5H3,(H2,45,53)(H,46,54)(H,47,57)(H,48,56)(H,49,55)(H,59,60)/b19-13+/t31-,32-,34-,35-,36+/m0/s1
Affinity DataIC50: 18nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Mouse)
Zedira GmbH

US Patent
LigandPNGBDBM577483(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H59N7O11/c1-42(2,3)34(48-37(54)29(17-11-12-18-31(51)60-4)45-36(53)27-19-20-44-22-28(27)41(58)59)40(57)49-23-26(50)21-30(49)38(55)47-33(25-15-9-6-10-16-25)39(56)46-32(35(43)52)24-13-7-5-8-14-24/h12,18-20,22,24-25,29-30,32-34H,5-11,13-17,21,23H2,1-4H3,(H2,43,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 19nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Crab-eating macaque)
Zedira GmbH

US Patent
LigandPNGBDBM577483(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H59N7O11/c1-42(2,3)34(48-37(54)29(17-11-12-18-31(51)60-4)45-36(53)27-19-20-44-22-28(27)41(58)59)40(57)49-23-26(50)21-30(49)38(55)47-33(25-15-9-6-10-16-25)39(56)46-32(35(43)52)24-13-7-5-8-14-24/h12,18-20,22,24-25,29-30,32-34H,5-11,13-17,21,23H2,1-4H3,(H2,43,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 19nMAssay Description:The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously express...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577486(US11472838, Compound 3)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1nccnc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C41H56N8O11/c1-41(2,3)33(48-35(53)26(17-11-12-18-28(51)60-4)45-38(56)31-32(40(58)59)44-20-19-43-31)39(57)49-22-25(50)21-27(49)36(54)47-30(24-15-9-6-10-16-24)37(55)46-29(34(42)52)23-13-7-5-8-14-23/h12,18-20,23-24,26-27,29-30,33H,5-11,13-17,21-22H2,1-4H3,(H2,42,52)(H,47,54)(H,48,53)(H,58,59)/b18-12+/t26-,27-,29-,30-,33+/m0/s1
Affinity DataIC50: 20nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577507(US11472838, Compound 25a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CCOC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C43H59N7O13/c1-43(2,3)35(48-38(54)30(17-11-12-18-32(51)62-4)45-37(53)29-23-27(50(60)61)19-20-28(29)42(58)59)41(57)49-21-22-63-24-31(49)39(55)47-34(26-15-9-6-10-16-26)40(56)46-33(36(44)52)25-13-7-5-8-14-25/h12,18-20,23,25-26,30-31,33-35H,5-11,13-17,21-22,24H2,1-4H3,(H2,44,52)(H,47,55)(H,48,54)(H,58,59)/b18-12+/t30-,31-,33-,34-,35+/m0/s1
Affinity DataIC50: 20nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577489(US11472838, Compound 7a/b)
Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C44H59N7O13/c1-5-64-33(53)19-13-12-18-31(46-38(55)30-22-27(51(62)63)20-21-29(30)43(60)61)39(56)49-36(44(2,3)4)42(59)50-24-28(52)23-32(50)40(57)48-35(26-16-10-7-11-17-26)41(58)47-34(37(45)54)25-14-8-6-9-15-25/h13,19-22,25-26,31-32,34-36H,5-12,14-18,23-24H2,1-4H3,(H2,45,54)(H,48,57)(H,49,56)(H,60,61)/b19-13+/t31-,32-,34-,35-,36+/m0/s1
Affinity DataIC50: 21nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577490(US11472838, Compound 8a/b)
Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C43H61N7O11/c1-5-61-32(52)19-13-12-18-30(46-37(54)28-20-21-45-23-29(28)42(59)60)38(55)49-35(43(2,3)4)41(58)50-24-27(51)22-31(50)39(56)48-34(26-16-10-7-11-17-26)40(57)47-33(36(44)53)25-14-8-6-9-15-25/h13,19-21,23,25-26,30-31,33-35H,5-12,14-18,22,24H2,1-4H3,(H2,44,53)(H,46,54)(H,47,57)(H,48,56)(H,49,55)(H,59,60)/b19-13+/t30-,31-,33-,34-,35+/m0/s1
Affinity DataIC50: 21nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Dog)
Zedira GmbH

US Patent
LigandPNGBDBM577483(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H59N7O11/c1-42(2,3)34(48-37(54)29(17-11-12-18-31(51)60-4)45-36(53)27-19-20-44-22-28(27)41(58)59)40(57)49-23-26(50)21-30(49)38(55)47-33(25-15-9-6-10-16-25)39(56)46-32(35(43)52)24-13-7-5-8-14-24/h12,18-20,22,24-25,29-30,32-34H,5-11,13-17,21,23H2,1-4H3,(H2,43,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 24nMAssay Description:The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously express...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577483(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H59N7O11/c1-42(2,3)34(48-37(54)29(17-11-12-18-31(51)60-4)45-36(53)27-19-20-44-22-28(27)41(58)59)40(57)49-23-26(50)21-30(49)38(55)47-33(25-15-9-6-10-16-25)39(56)46-32(35(43)52)24-13-7-5-8-14-24/h12,18-20,22,24-25,29-30,32-34H,5-11,13-17,21,23H2,1-4H3,(H2,43,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 24nMAssay Description:The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously express...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577511(US11472838, Compound 29 | US11472838, Compound 32a...)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(Cl)c(Cl)cc1C(O)=O)C(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C2(C)C)C(C)(C)C
Show InChI InChI=1S/C46H64Cl2N6O10/c1-45(2,3)37(53-40(58)31(19-13-14-20-32(55)64-6)50-39(57)26-21-29(47)30(48)22-27(26)44(62)63)43(61)54-23-28-33(46(28,4)5)36(54)42(60)52-35(25-17-11-8-12-18-25)41(59)51-34(38(49)56)24-15-9-7-10-16-24/h14,20-22,24-25,28,31,33-37H,7-13,15-19,23H2,1-6H3,(H2,49,56)(H,50,57)(H,51,59)(H,52,60)(H,53,58)(H,62,63)/b20-14+/t28-,31-,33-,34-,35-,36-,37+/m0/s1
Affinity DataIC50: 24nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577483(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H59N7O11/c1-42(2,3)34(48-37(54)29(17-11-12-18-31(51)60-4)45-36(53)27-19-20-44-22-28(27)41(58)59)40(57)49-23-26(50)21-30(49)38(55)47-33(25-15-9-6-10-16-25)39(56)46-32(35(43)52)24-13-7-5-8-14-24/h12,18-20,22,24-25,29-30,32-34H,5-11,13-17,21,23H2,1-4H3,(H2,43,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 24nMAssay Description:The most relevant off-targets are the transglutaminase isoenzymes especially tissue transglutaminase (TG2) because the enzyme is ubiquitously express...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577496(US11472838, Compound 14a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CCCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C44H63N7O12/c1-44(2,3)36(49-39(55)31(19-11-12-21-33(52)63-4)46-38(54)30-25-28(51(61)62)22-23-29(30)43(59)60)42(58)50-24-14-13-20-32(50)40(56)48-35(27-17-9-6-10-18-27)41(57)47-34(37(45)53)26-15-7-5-8-16-26/h12,21-23,25-27,31-32,34-36H,5-11,13-20,24H2,1-4H3,(H2,45,53)(H,46,54)(H,47,57)(H,48,56)(H,49,55)(H,59,60)/b21-12+/t31-,32-,34-,35-,36+/m0/s1
Affinity DataIC50: 26nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577509(US11472838, Compound 27 | US11472838, Compound 31a...)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cncc(c1)C(O)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H61N7O10/c1-42(2,3)34(48-37(53)29(18-11-12-20-31(50)59-4)45-36(52)27-22-28(41(57)58)24-44-23-27)40(56)49-21-13-19-30(49)38(54)47-33(26-16-9-6-10-17-26)39(55)46-32(35(43)51)25-14-7-5-8-15-25/h12,20,22-26,29-30,32-34H,5-11,13-19,21H2,1-4H3,(H2,43,51)(H,45,52)(H,46,55)(H,47,54)(H,48,53)(H,57,58)/b20-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 27nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Dog)
Zedira GmbH

US Patent
LigandPNGBDBM577483(US11472838, Compound 5)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H59N7O11/c1-42(2,3)34(48-37(54)29(17-11-12-18-31(51)60-4)45-36(53)27-19-20-44-22-28(27)41(58)59)40(57)49-23-26(50)21-30(49)38(55)47-33(25-15-9-6-10-16-25)39(56)46-32(35(43)52)24-13-7-5-8-14-24/h12,18-20,22,24-25,29-30,32-34H,5-11,13-17,21,23H2,1-4H3,(H2,43,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 28nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577547(US11472838, Compound 45a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C1CCCCC1)C(O)=O)C(C)(C)C
Show InChI InChI=1S/C39H54N6O12/c1-21(2)29(35(51)43-30(38(55)56)22-12-8-7-9-13-22)42-34(50)27-18-23(46)20-45(27)36(52)31(39(3,4)5)44-33(49)26(14-10-11-15-28(47)57-6)41-32(48)24-16-17-40-19-25(24)37(53)54/h11,15-17,19,21-22,26-27,29-31H,7-10,12-14,18,20H2,1-6H3,(H,41,48)(H,42,50)(H,43,51)(H,44,49)(H,53,54)(H,55,56)/b15-11+/t26-,27-,29-,30-,31+/m0/s1
Affinity DataIC50: 35nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577510(US11472838, Compound 28)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cnc(O)c(c1)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C44H64N8O11/c1-44(2,3)36(50-39(56)30(20-11-12-21-32(53)63-4)47-38(55)28-22-31(52(61)62)40(57)46-23-28)43(60)51-24-27-18-13-19-29(27)35(51)42(59)49-34(26-16-9-6-10-17-26)41(58)48-33(37(45)54)25-14-7-5-8-15-25/h12,21-23,25-27,29-30,33-36H,5-11,13-20,24H2,1-4H3,(H2,45,54)(H,46,57)(H,47,55)(H,48,58)(H,49,59)(H,50,56)/b21-12+/t27-,29-,30-,33-,34-,35-,36+/m0/s1
Affinity DataIC50: 36nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM50420503(CHEMBL2086505)
Show SMILES FC(F)(F)c1cc(NC(=O)C=C)ccc1S(=O)(=O)N1CCN(CC1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C22H22F3N3O5S/c1-2-20(29)26-17-8-9-19(18(14-17)22(23,24)25)34(31,32)28-12-10-27(11-13-28)21(30)33-15-16-6-4-3-5-7-16/h2-9,14H,1,10-13,15H2,(H,26,29)
Affinity DataIC50: 39nMAssay Description:Inhibition of thrombin activated human F13a by fluorescent transamidation assayMore data for this Ligand-Target Pair
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577530(US11472838, Compound 39a/b)
Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)c1cnccc1C(O)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C41H61N7O10/c1-7-58-31(49)18-12-11-16-28(44-35(51)27-23-43-20-19-26(27)40(56)57)36(52)47-33(41(4,5)6)39(55)48-21-13-17-30(48)38(54)45-29(22-24(2)3)37(53)46-32(34(42)50)25-14-9-8-10-15-25/h12,18-20,23-25,28-30,32-33H,7-11,13-17,21-22H2,1-6H3,(H2,42,50)(H,44,51)(H,45,54)(H,46,53)(H,47,52)(H,56,57)/b18-12+/t28-,29-,30-,32-,33+/m0/s1
Affinity DataIC50: 39nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577499(US11472838, Compound 17a/b)
Show SMILES CNC(=O)\C=C\CC[C@H](NC(=O)c1ccncc1C(O)=O)C(=O)N[C@H](C(=O)N1CC(=O)C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H58N8O10/c1-42(2,3)34(49-37(55)29(17-11-12-18-31(52)44-4)46-36(54)27-19-20-45-22-28(27)41(59)60)40(58)50-23-26(51)21-30(50)38(56)48-33(25-15-9-6-10-16-25)39(57)47-32(35(43)53)24-13-7-5-8-14-24/h12,18-20,22,24-25,29-30,32-34H,5-11,13-17,21,23H2,1-4H3,(H2,43,53)(H,44,52)(H,48,56)(H,49,55)(H,59,60)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 41nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577518(US11472838, Compound 36a/b)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)CN1C(=O)[C@@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)c1ccncc1C(O)=O)C(C)(C)C)C1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C43H61N7O11/c1-43(2,3)35(49-37(54)30(18-12-13-19-32(52)61-5)46-36(53)28-20-21-45-23-29(28)42(59)60)41(58)50-24-27(51)22-31(50)38(55)47-34(26-16-10-7-11-17-26)40(57)48-33(39(56)44-4)25-14-8-6-9-15-25/h13,19-21,23,25-26,30-31,33-35H,6-12,14-18,22,24H2,1-5H3,(H,44,56)(H,46,53)(H,47,55)(H,48,57)(H,49,54)(H,59,60)/b19-13+/t30-,31-,33-,34-,35+/m0/s1
Affinity DataIC50: 41nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577504(US11472838, Compound 22a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC=C[C@H]1C(=O)NC(C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C43H59N7O12/c1-43(2,3)35(48-38(54)30(18-11-12-20-32(51)62-4)45-37(53)29-24-27(50(60)61)21-22-28(29)42(58)59)41(57)49-23-13-19-31(49)39(55)47-34(26-16-9-6-10-17-26)40(56)46-33(36(44)52)25-14-7-5-8-15-25/h12-13,19-22,24-26,30-31,33-35H,5-11,14-18,23H2,1-4H3,(H2,44,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b20-12+/t30-,31-,33-,34?,35+/m0/s1
Affinity DataIC50: 42nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577492(US11472838, Compound 10a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C[C@H](C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)Oc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C49H65N7O13/c1-49(2,3)41(54-44(60)36(22-14-15-23-38(57)68-4)51-43(59)35-26-31(56(66)67)24-25-34(35)48(64)65)47(63)55-28-33(69-32-20-12-7-13-21-32)27-37(55)45(61)53-40(30-18-10-6-11-19-30)46(62)52-39(42(50)58)29-16-8-5-9-17-29/h7,12-13,15,20-21,23-26,29-30,33,36-37,39-41H,5-6,8-11,14,16-19,22,27-28H2,1-4H3,(H2,50,58)(H,51,59)(H,52,62)(H,53,61)(H,54,60)(H,64,65)/b23-15+/t33-,36-,37-,39-,40-,41+/m0/s1
Affinity DataIC50: 42nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577508(US11472838, Compound 26a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1COC[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C42H57N7O13/c1-42(2,3)34(47-37(53)29(17-11-12-18-31(50)61-4)44-36(52)28-21-26(49(59)60)19-20-27(28)41(57)58)40(56)48-23-62-22-30(48)38(54)46-33(25-15-9-6-10-16-25)39(55)45-32(35(43)51)24-13-7-5-8-14-24/h12,18-21,24-25,29-30,32-34H,5-11,13-17,22-23H2,1-4H3,(H2,43,51)(H,46,54)(H,47,53)(H,57,58)/b18-12+/t29-,30-,32-,33-,34+/m0/s1
Affinity DataIC50: 43nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577528(US11472838, Compound 38)
Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)c1cc(Cl)c(Cl)cc1C(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(N)=O
Show InChI InChI=1S/C41H58Cl2N6O10/c1-6-59-32(50)17-11-10-15-29(45-36(52)25-20-27(42)28(43)21-26(25)41(57)58)37(53)47-33(23(4)5)40(56)49-18-12-16-31(49)39(55)46-30(19-22(2)3)38(54)48-34(35(44)51)24-13-8-7-9-14-24/h11,17,20-24,29-31,33-34H,6-10,12-16,18-19H2,1-5H3,(H2,44,51)(H,45,52)(H,46,55)(H,47,53)(H,48,54)(H,57,58)/b17-11+/t29-,30-,31-,33-,34-/m0/s1
Affinity DataIC50: 47nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM50083726(CHEMBL3423194)
Show SMILES NC(=O)[C@H]1O[C@H]1C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C10H9ClN2O3/c11-5-2-1-3-6(4-5)13-10(15)8-7(16-8)9(12)14/h1-4,7-8H,(H2,12,14)(H,13,15)/t7-,8+/m0/s1
Affinity DataIC50: 48nMAssay Description:Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...More data for this Ligand-Target Pair
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577494(US11472838, Compound 12a/b)
Show SMILES COC(=O)\C=C\CC[C@H](NC(=O)c1cc(ccc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C1CCCCC1)C(=O)N[C@@H](C1CCCCC1)C(N)=O)OCc1ccccc1)C(C)(C)C
Show InChI InChI=1S/C50H67N7O13/c1-50(2,3)42(55-45(61)37(22-14-15-23-39(58)69-4)52-44(60)36-26-33(57(67)68)24-25-35(36)49(65)66)48(64)56-28-34(70-29-30-16-8-5-9-17-30)27-38(56)46(62)54-41(32-20-12-7-13-21-32)47(63)53-40(43(51)59)31-18-10-6-11-19-31/h5,8-9,15-17,23-26,31-32,34,37-38,40-42H,6-7,10-14,18-22,27-29H2,1-4H3,(H2,51,59)(H,52,60)(H,53,63)(H,54,62)(H,55,61)(H,65,66)/b23-15+/t34-,37+,38+,40+,41+,42-/m1/s1
Affinity DataIC50: 51nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM50420457(CHEMBL2086890)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)C=C)cc1F
Show InChI InChI=1S/C18H24FN3O5S/c1-5-16(23)20-13-6-7-15(14(19)12-13)28(25,26)22-10-8-21(9-11-22)17(24)27-18(2,3)4/h5-7,12H,1,8-11H2,2-4H3,(H,20,23)
Affinity DataIC50: 51nMAssay Description:Inhibition of thrombin activated human F13a by fluorescent transamidation assayMore data for this Ligand-Target Pair
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM50083728(CHEMBL3423193)
Show SMILES NC(=O)[C@H]1O[C@H]1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C16H14N2O4/c17-15(19)13-14(22-13)16(20)18-10-6-8-12(9-7-10)21-11-4-2-1-3-5-11/h1-9,13-14H,(H2,17,19)(H,18,20)/t13-,14+/m0/s1
Affinity DataIC50: 55nMAssay Description:Inhibition of thrombin-activated F13-A (unknown origin) in plasma assessed as inhibition of fibrin clot formation after 7 mins by biotin incorporatio...More data for this Ligand-Target Pair
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577534(US11472838, Compound 42a/b)
Show SMILES CCOC(=O)\C=C\CC[C@H](NC(=O)c1ccc(cc1C(O)=O)[N+]([O-])=O)C(=O)N[C@H](C(=O)N1CC(=C)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C1CCCCC1)C(N)=O)C(C)(C)C
Show InChI InChI=1S/C43H61N7O12/c1-8-62-33(51)17-13-12-16-30(45-37(53)28-19-18-27(50(60)61)22-29(28)42(58)59)38(54)48-35(43(5,6)7)41(57)49-23-25(4)21-32(49)40(56)46-31(20-24(2)3)39(55)47-34(36(44)52)26-14-10-9-11-15-26/h13,17-19,22,24,26,30-32,34-35H,4,8-12,14-16,20-21,23H2,1-3,5-7H3,(H2,44,52)(H,45,53)(H,46,56)(H,47,55)(H,48,54)(H,58,59)/b17-13+/t30-,31-,32-,34-,35+/m0/s1
Affinity DataIC50: 56nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCoagulation factor XIII A chain(Homo sapiens (Human))
University of Leeds

Curated by ChEMBL
LigandPNGBDBM577549(US11472838, Compound Ref. 23)
Show SMILES CCCC[C@H](NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)[C@@H]1CC(=O)CN1)C(=O)N[C@@H](C(C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(O)=O
Affinity DataIC50: 56nMAssay Description:FXIIIa activity has been determined using substrate A101 (Zedira GmbH, Darmstadt, Germany), which is based on the N-terminal dodecapeptide of α2...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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